2-(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)-3-isoquinolin-5-ylimino-2-pyrrolidin-1-yl-propanenitrile

Systemtic Name: 2-(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)-3-isoquinolin-5-ylimino-2-pyrrolidin-1-yl-propanenitrile Openeye Name: 2-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)-3-(5-isoquinolylimino)-2-pyrrolidin-1-yl-propanenitrile CAS Name: 2-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)-3-(5-isoquinolinylimino)-2-(1-pyrrolidinyl)propanenitrile IUPAC Name: 2-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)-3-isoquinolin-5-ylimino-2-pyrrolidin-1-ylpropanenitrile Traditional Name: 3-(5-isoquinolylimino)-2-(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)-2-pyrrolidino-propionitrile Formula: C26H24N6O3 MolecularWeight: 468.50716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C(C=NC3=CC=CC4=C3C=CN=C4)(C#N)N5CCCC5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C(C=NC3=CC=CC4=C3C=CN=C4)(C#N)N5CCCC5)OC

InChI

InChI=1S/C26H24N6O3/c1-34-22-12-19-21(13-23(22)35-2)30-25(31-24(19)33)26(15-27,32-10-3-4-11-32)16-29-20-7-5-6-17-14-28-9-8-18(17)20/h5-9,12-14,16H,3-4,10-11H2,1-2H3,(H,30,31,33)